Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR3302)
Drug Name
BLZ-945
Synonyms CSF-1R inhibitor (bone cancer); CSF-1R inhibitor (bone cancer), Novartis
Indication Amyotrophic lateral sclerosis [ICD11: 8B60] Phase 2 [1]
Solid tumour/cancer [ICD11: ICD11: 2A00-2F9Z] Phase 1 [2]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 398.5 Topological Polar Surface Area 125
Heavy Atom Count 28 Rotatable Bond Count 5
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 7
Cross-matching ID
PubChem CID
46184986
CAS Number
953769-46-5
TTD Drug ID
D08NDE
Formula
C20H22N4O3S
Canonical SMILES
CNC(=O)C1=NC=CC(=C1)OC2=CC3=C(C=C2)N=C(S3)N[C@@H]4CCCC[C@H]4O
InChI
InChI=1S/C20H22N4O3S/c1-21-19(26)16-10-13(8-9-22-16)27-12-6-7-15-18(11-12)28-20(24-15)23-14-4-2-3-5-17(14)25/h6-11,14,17,25H,2-5H2,1H3,(H,21,26)(H,23,24)/t14-,17-/m1/s1
InChIKey
ADZBMFGQQWPHMJ-RHSMWYFYSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
BLZ-945 M1 DM019702 N. A. Unclear - Unclear 1 [3]
BLZ-945 M10 DM019699 N. A. Unclear - Unclear 1 [3]
BLZ-945 M2 DM019703 N. A. Unclear - Unclear 1 [3]
BLZ-945 M3 DM019704 N. A. Unclear - Unclear 1 [3]
BLZ-945 M4 DM019705 N. A. Unclear - Unclear 1 [3]
BLZ-945 M5/M7 DM019701 N. A. Unclear - Unclear 1 [3]
BLZ-945 M6 DM019700 N. A. Unclear - Unclear 1 [3]
BLZ-945 M8 DM016391
89180182
Unclear - Unclear 1 [3]
BLZ-945 M9 DM016386
87421352
Unclear - Unclear 2 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR012418 BLZ-945 BLZ-945 M10 Unclear - Unclear CYP2C8 [3]
MR012420 BLZ-945 BLZ-945 M8 Unclear - Unclear Unclear [3]
MR012421 BLZ-945 BLZ-945 M6 Unclear - Unclear Unclear [3]
MR012422 BLZ-945 BLZ-945 M5/M7 Unclear - Unclear CYP3A4 [3]
MR012423 BLZ-945 BLZ-945 M1 Unclear - Unclear CYP2C8 [3]
MR012424 BLZ-945 BLZ-945 M2 Unclear - Unclear CYP2C8 [3]
MR012425 BLZ-945 BLZ-945 M3 Unclear - Unclear CYP3A4 [3]
MR012426 BLZ-945 BLZ-945 M4 Unclear - Unclear CYP3A4 [3]
MR012419 BLZ-945 M10 BLZ-945 M9 Unclear - Unclear Unclear [3]
⏷ Show the Full List of 9 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2C8 (CYP2C8) DME0018 Homo sapiens
CP2C8_HUMAN
1.14.14.1
[3]
Cytochrome P450 2D6 (CYP2D6) DME0009 Homo sapiens
CP2D6_HUMAN
1.14.14.1
[3]
Cytochrome P450 2J2 (CYP2J2) DME0031 Homo sapiens
CP2J2_HUMAN
1.14.14.24
[3]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[3]
References
1 ClinicalTrials.gov (NCT04066244) Study of Safety and of the Mechanism of BLZ945 in ALS Patients. U.S. National Institutes of Health.
2 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
3 Phenotypic and metabolic investigation of a CSF-1R kinase receptor inhibitor (BLZ945) and its pharmacologically active metabolite

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